(2E,5E)-4-(2-methyl-1-oxidanyl-propan-2-yl)-4-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-hepta-2,5-dienedioate

Systemtic Name: (2E,5E)-4-(2-methyl-1-oxidanyl-propan-2-yl)-4-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-(2-hydroxy-1,1-dimethyl-ethyl)-4-(6-hydroxy-6-oxo-hexanoyl)oxy-hepta-2,5-dienedioate CAS Name: (2E,5E)-4-(6-hydroxy-1,6-dioxohexoxy)-4-(1-hydroxy-2-methylpropan-2-yl)hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-(1-hydroxy-2-methylpropan-2-yl)-4-(6-hydroxy-6-oxohexanoyl)oxyhepta-2,5-dienedioate Traditional Name: (2E,5E)-4-(2-hydroxy-1,1-dimethyl-ethyl)-4-(6-hydroxy-6-keto-hexanoyl)oxy-hepta-2,5-dienedioate Formula: C17H22O9-2 MolecularWeight: 370.35118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C=CC(=O)[O-])(C=CC(=O)[O-])OC(=O)CCCCC(=O)O

Isomeric SMILES

CC(C(OC(=O)CCCCC(=O)O)(/C=C/C(=O)[O-])/C=C/C(=O)[O-])(CO)C

InChI

InChI=1S/C17H24O9/c1-16(2,11-18)17(9-7-13(21)22,10-8-14(23)24)26-15(25)6-4-3-5-12(19)20/h7-10,18H,3-6,11H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)/p-2/b9-7+,10-8+